Geometry & MOs

Info

ID:

443131

PubChem CID:

135257784

Reduced:

SN2O5F6H22C27 (1)

Stoich.:

AB2C5D6E22F27 (1)

Weight, g/mol:

627.126261

ΔHf, kcal/mol:

-404.21

Dipole, Da:

2.26

IP(EA), eV:

 -9.44(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(5-cyclopentylpyridin-2-yl)methyl-[(2R)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-2-carbonyl]amino]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

C1COCCC1C2=CC=C(C=C2)CN(C3=C(C=C(C(=C3)O)C(=O)O)F)C(=O)CNSC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations